BDBM9760 2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deriv. 36::3-{[(3S)-2-[(2S)-2-[(tert-butylcarbamoyl)amino]-2-cyclohexylacetyl]-2-azabicyclo[2.2.1]heptan-3-yl]formamido}-4-cyclopropyl-N-({[(S)-(dimethylcarbamoyl)(phenyl)methyl]carbamoyl}methyl)-2-oxobutanamide
SMILES: CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)NC(C)(C)C)C1CCCCC1)c1ccccc1
InChI Key: InChIKey=FJEAZKCECWSFQB-DOCQBQAVSA-N
Data: 1 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HCV NS3-NS4A Serine Proteinase (Hepatitis C virus (HCV genotype 1a, isolate H)) | BDBM9760 (2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 19 | -10.7 | n/a | n/a | n/a | n/a | n/a | 6.5 | 30 |
Schering-Plough Research Institute | Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I... | Bioorg Med Chem Lett 16: 1628-32 (2006) Article DOI: 10.1016/j.bmcl.2005.12.046 BindingDB Entry DOI: 10.7270/Q2B856BB | |||||||||||
More data for this Ligand-Target Pair |